| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:04 UTC |
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| Update Date | 2025-03-25 00:47:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164879 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H28O3 |
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| Molecular Mass | 292.2038 |
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| SMILES | CC(O)CCC(C)(C)COC(=O)c1ccccc1C(C)C |
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| InChI Key | WNCOEWNQEPKGOY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzoyl derivativescarboxylic acid esterscumeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenylpropanessecondary alcohols |
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| Substituents | alcoholbenzoylbenzoate estercarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholcumenehydrocarbon derivativeorganooxygen compound |
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